(2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol

C9H16FNO — CID 155487473

IUPAC(2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
SMILESCC1CCC2(CO)CC(F)CN12
InChIInChI=1S/C9H16FNO/c1-7-2-3-9(6-12)4-8(10)5-11(7)9/h7-8,12H,2-6H2,1H3
InChIKeyJNALTWHBNAXBIO-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.94
Rot. Bonds1

About (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol

(2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol (PubChem CID 155487473) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
PubChem CID155487473
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
SMILESCC1CCC2(CO)CC(F)CN12
InChIInChI=1S/C9H16FNO/c1-7-2-3-9(6-12)4-8(10)5-11(7)9/h7-8,12H,2-6H2,1H3
InChIKeyJNALTWHBNAXBIO-UHFFFAOYSA-N
XLogP0.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The IUPAC name of (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol (CID 155487473) is (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol.
What is the SMILES notation for (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The canonical SMILES for (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol is CC1CCC2(CO)CC(F)CN12.
What is the InChIKey of (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The InChIKey is JNALTWHBNAXBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7-2-3-9(6-12)4-8(10)5-11(7)9/h7-8,12H,2-6H2,1H3.
What are the key properties of (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
(2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol has a molecular weight of 173.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol is sourced from PubChem (CID 155487473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).